4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide

C22H20ClNO3S — CID 55758138

IUPAC4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1ccccc1Cl
InChIInChI=1S/C22H20ClNO3S/c1-16(20-9-5-6-10-21(20)23)24-22(25)18-13-11-17(12-14-18)15-28(26,27)19-7-3-2-4-8-19/h2-14,16H,15H2,1H3,(H,24,25)
InChIKeyGWXJSSYJPHSGIP-UHFFFAOYSA-N
MW413.93 g/mol
LogP4.80
Rot. Bonds6

About 4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide

4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide (PubChem CID 55758138) has the molecular formula C22H20ClNO3S and a molecular weight of 413.93 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide
PubChem CID55758138
Molecular FormulaC22H20ClNO3S
Molecular Weight413.93 g/mol
Exact Mass413.09
IUPAC Name4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1ccccc1Cl
InChIInChI=1S/C22H20ClNO3S/c1-16(20-9-5-6-10-21(20)23)24-22(25)18-13-11-17(12-14-18)15-28(26,27)19-7-3-2-4-8-19/h2-14,16H,15H2,1H3,(H,24,25)
InChIKeyGWXJSSYJPHSGIP-UHFFFAOYSA-N
XLogP4.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81377370
N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide
CID 42910401
4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 51955516
4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81375650
4-(benzenesulfonylmethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 55756465
4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
CID 27769015
4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 55757536
N-[1-(2-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
CID 51185029
N-[1-(2-bromophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 51149312
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8700706
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 41048405
N-[1-(2-chlorophenyl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487830

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide?
The IUPAC name of 4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide (CID 55758138) is 4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide?
The canonical SMILES for 4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide is CC(NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1ccccc1Cl.
What is the InChIKey of 4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide?
The InChIKey is GWXJSSYJPHSGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3S/c1-16(20-9-5-6-10-21(20)23)24-22(25)18-13-11-17(12-14-18)15-28(26,27)19-7-3-2-4-8-19/h2-14,16H,15H2,1H3,(H,24,25).
What are the key properties of 4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide?
4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide has a molecular weight of 413.93 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide is sourced from PubChem (CID 55758138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).